Butane

Butane

SCHEMBL7714644

CCCC.CCCC(C#N)P(=O)(O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.48
METAP1 P53582 2/20 0.42
LAP3 P28838 3/20 0.36
S1PR2 O95136 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR4 O95977 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15537597 0.98 FDPS (0.50) FDPSMETAP1LAP3S1PR2S1PR1
Butane SCHEMBL7716695 0.84 FDPS (0.39) FDPSMETAP1LAP3
SCHEMBL6294099 0.79
SCHEMBL5106280 0.77 ALDH1A1 (0.31) FDPS
SCHEMBL17107641 0.76 FDPS (0.50) FDPSMETAP1LAP3S1PR2S1PR1
Butane SCHEMBL7715952 0.73 FDPS (0.41) FDPSMETAP1LAP3
SCHEMBL5105448 0.72 LAP3 (0.37) FDPSLAP3
SCHEMBL9706776 0.72
SCHEMBL7714646 0.71 TSHR (0.43) FDPS
SCHEMBL8567028 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed